Geometry & MOs

Info

ID:	89410
PubChem CID:	49961515
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	1.61
IP(EA), eV:	-8.71(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazepan-1-yl-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC(C)C(=O)N2CCCNCC2

DOS

IR

Vibrations